Dasyscyphin C

  • Formula: C28H40O8

  • Molecular weight: 504.60

  • Smiles: CC1(CCCC2(C1CCC3(C2CC4C3(C=C(C(=O)C4=O)COC(=O)CC(C)(CC(=O)O)O)O)C)C)C

  • Type: Terpenoid

Download

Dasyscyphin C

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Dasyscyphin C

  • First synonym: None

  • Synonyms: Dasyscyphin C,5-[[(4aS,6aS,6bR,10aS,11aR,11bS)-6b-hydroxy-4,4,6a,11b-tetramethyl-9,10-dioxo-2,3,4a,5,6,10a,11,11a-octahydro-1H-benzo[a]fluoren-8-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid,5-(((4aS,6aS,6bR,10aS,11aR,11bS)-6b-hydroxy-4,4,6a,11b-tetramethyl-9,10-dioxo-2,3,4a,5,6,10a,11,11a-octahydro-1H-benzo(a)fluoren-8-yl)methoxy)-3-hydroxy-3-methyl-5-oxopentanoic acid,CHEMBL526755,CHEBI:210583,5-[[(4aS,6aS,6bR,10aS,11aR,11bS)-6b-hydroxy-4,4,6a,11b-tetramethyl-9,10-dioxo-2,3,4a,5,6,10a,11,11a-octahydro-1H-benzo[a]luoren-8-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

Identifiers / External links

Structure

  • Smiles: CC1(CCCC2(C1CCC3(C2CC4C3(C=C(C(=O)C4=O)COC(=O)CC(C)(CC(=O)O)O)O)C)C)C

  • Isomeric smiles: C[C@]12CCCC([C@@H]1CC[C@]3([C@@H]2C[C@H]4[C@@]3(C=C(C(=O)C4=O)COC(=O)CC(C)(CC(=O)O)O)O)C)(C)C

  • Inchi: InChI=1S/C28H40O8/c1-24(2)8-6-9-26(4)18(24)7-10-27(5)19(26)11-17-23(33)22(32)16(12-28(17,27)35)15-36-21(31)14-25(3,34)13-20(29)30/h12,17-19,34-35H,6-11,13-15H2,1-5H3,(H,29,30)/t17-,18+,19-,25?,26+,27+,28-/m1/s1

  • Inchikey: VBYFVFMZJVTSHX-YHKOIMIKSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H40O8

  • Molecular weight: 504.60

  • Monoisotopic mass: 504.27231823

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference

Fungi

  • Fungi id Species